(2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid

C15H23NO3 — CID 164640817

IUPAC(2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid
SMILESO=C(NC[C@H](C(=O)O)C1CCCCC1)C1CC=CC1
InChIInChI=1S/C15H23NO3/c17-14(12-8-4-5-9-12)16-10-13(15(18)19)11-6-2-1-3-7-11/h4-5,11-13H,1-3,6-10H2,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKeyGDKVADSHDHKVQA-ZDUSSCGKSA-N
MW265.35 g/mol
LogP2.35
Rot. Bonds5

About (2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid

(2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid (PubChem CID 164640817) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid
PubChem CID164640817
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid
SMILESO=C(NC[C@H](C(=O)O)C1CCCCC1)C1CC=CC1
InChIInChI=1S/C15H23NO3/c17-14(12-8-4-5-9-12)16-10-13(15(18)19)11-6-2-1-3-7-11/h4-5,11-13H,1-3,6-10H2,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKeyGDKVADSHDHKVQA-ZDUSSCGKSA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid?
The IUPAC name of (2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid (CID 164640817) is (2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid is O=C(NC[C@H](C(=O)O)C1CCCCC1)C1CC=CC1.
What is the InChIKey of (2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid?
The InChIKey is GDKVADSHDHKVQA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO3/c17-14(12-8-4-5-9-12)16-10-13(15(18)19)11-6-2-1-3-7-11/h4-5,11-13H,1-3,6-10H2,(H,16,17)(H,18,19)/t13-/m0/s1.
What are the key properties of (2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid?
(2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid is sourced from PubChem (CID 164640817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).